2-butan-2-ylsulfanyl-5-methyl-6-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-5-methyl-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-5-methyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-5-methyl-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-5-methyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H20N2OS/c1-4-11(2)20-16-17-14(12(3)15(19)18-16)10-13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H,17,18,19)